Cas no 1282549-51-2 (ethyl 5-chloro-2-methyl-1,3-thiazole-4-carboxylate)
1282549-51-2 structure
Product Name:ethyl 5-chloro-2-methyl-1,3-thiazole-4-carboxylate
CAS No:1282549-51-2
MF:C7H8ClNO2S
MW:205.661919593811
CID:6831875
PubChem ID:68106301
Update Time:2025-03-27
ethyl 5-chloro-2-methyl-1,3-thiazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- DB-157804
- 1282549-51-2
- Ethyl 5-chloro-2-methylthiazole-4-carboxylate
- AKOS025149400
- SCHEMBL10317272
- ethyl 5-chloro-2-methyl-1,3-thiazole-4-carboxylate
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- Inchi： 1S/C7H8ClNO2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3H2,1-2H3
- InChI Key： MUVNOLJOAHDBNJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)OCC)N=C(C)S1
Computed Properties
- Exact Mass: 204.9964274Da
- Monoisotopic Mass: 204.9964274Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 67.4?2
ethyl 5-chloro-2-methyl-1,3-thiazole-4-carboxylate Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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